2-octadecyl-3-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-octadecyl-3-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-octadecyl-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-1,4-benzoquinone CAS Name: 2-octadecyl-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-octadecyl-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-3-stearyl-p-benzoquinone Formula: C31H46N4O2S MolecularWeight: 538.78754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=O)C=CC1=O)SC2=NNNN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=O)C=CC1=O)SC2=NNNN2C3=CC=CC=C3

InChI

InChI=1S/C31H46N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-28(36)24-25-29(37)30(27)38-31-32-33-34-35(31)26-21-18-17-19-22-26/h17-19,21-22,24-25,33-34H,2-16,20,23H2,1H3